N-(2-bromopropyl)-2-(4-fluorophenyl)-N-methylacetamide

C12H15BrFNO — CID 80665709

IUPACN-(2-bromopropyl)-2-(4-fluorophenyl)-N-methylacetamide
SMILESCC(Br)CN(C)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H15BrFNO/c1-9(13)8-15(2)12(16)7-10-3-5-11(14)6-4-10/h3-6,9H,7-8H2,1-2H3
InChIKeyZQDVJGRMRKCRQZ-UHFFFAOYSA-N
MW288.16 g/mol
LogP2.61
Rot. Bonds4

About N-(2-bromopropyl)-2-(4-fluorophenyl)-N-methylacetamide

N-(2-bromopropyl)-2-(4-fluorophenyl)-N-methylacetamide (PubChem CID 80665709) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is N-(2-bromopropyl)-2-(4-fluorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-2-(4-fluorophenyl)-N-methylacetamide
PubChem CID80665709
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC NameN-(2-bromopropyl)-2-(4-fluorophenyl)-N-methylacetamide
SMILESCC(Br)CN(C)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H15BrFNO/c1-9(13)8-15(2)12(16)7-10-3-5-11(14)6-4-10/h3-6,9H,7-8H2,1-2H3
InChIKeyZQDVJGRMRKCRQZ-UHFFFAOYSA-N
XLogP2.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromopropyl)-2-(4-chlorophenyl)-N-methylacetamide
CID 80666327
2-(3-bromophenyl)-N-(2-bromopropyl)-N-methylacetamide
CID 80665086
N-(2,2-dimethylpropyl)-2-(4-fluorophenyl)-N-methylacetamide
CID 110669323
N-methyl-N-(2-methylpropyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 78853378
methyl 2-[[2-(4-fluorophenyl)acetyl]-methylamino]acetate
CID 43407385
N-(1-aminopropan-2-yl)-2-(4-fluorophenyl)-N-methylacetamide
CID 115733563
N-[(4-aminophenyl)methyl]-2-(4-fluorophenyl)-N-methylacetamide
CID 43458116
N-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide
CID 62333656
2-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide
CID 113476089
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 94010767
2-(3-fluoro-4-methoxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62334421
N-(2-bromopropyl)-N-methyl-3-phenylpropanamide
CID 80666025

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-2-(4-fluorophenyl)-N-methylacetamide?
The IUPAC name of N-(2-bromopropyl)-2-(4-fluorophenyl)-N-methylacetamide (CID 80665709) is N-(2-bromopropyl)-2-(4-fluorophenyl)-N-methylacetamide.
What is the SMILES notation for N-(2-bromopropyl)-2-(4-fluorophenyl)-N-methylacetamide?
The canonical SMILES for N-(2-bromopropyl)-2-(4-fluorophenyl)-N-methylacetamide is CC(Br)CN(C)C(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-(2-bromopropyl)-2-(4-fluorophenyl)-N-methylacetamide?
The InChIKey is ZQDVJGRMRKCRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-9(13)8-15(2)12(16)7-10-3-5-11(14)6-4-10/h3-6,9H,7-8H2,1-2H3.
What are the key properties of N-(2-bromopropyl)-2-(4-fluorophenyl)-N-methylacetamide?
N-(2-bromopropyl)-2-(4-fluorophenyl)-N-methylacetamide has a molecular weight of 288.16 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-2-(4-fluorophenyl)-N-methylacetamide is sourced from PubChem (CID 80665709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).